S-[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,4-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]phenyl] 2,4-dimethoxybenzenecarbothioate CAS Name: 2,4-dimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]phenyl] 2,4-dimethoxybenzenecarbothioate Traditional Name: 2,4-dimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]phenyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C22H26N2O5S/c1-13(2)11-17(20(23)25)24-21(26)16-7-5-6-8-19(16)30-22(27)15-10-9-14(28-3)12-18(15)29-4/h5-10,12-13,17H,11H2,1-4H3,(H2,23,25)(H,24,26)/t17-/m0/s1